neridronic acid
  CDK     0223171734
null
 16 15  0  0  0  0  0  0  0  0999 V2000
   -1.4319   -1.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7170   -1.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1468   -1.4524    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4319   -2.6896    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7170   -2.2779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0020   -1.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7330   -0.7374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8617   -1.8641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5585   -0.7374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2574   -2.6896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7170   -3.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8436   -3.4045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7129   -1.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4298   -1.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1447   -1.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8596   -1.8641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  1  4  1  0  0  0  0 
  1  5  1  0  0  0  0 
  2  6  1  0  0  0  0 
  3  7  2  0  0  0  0 
  3  8  1  0  0  0  0 
  3  9  1  0  0  0  0 
  4 10  2  0  0  0  0 
  4 11  1  0  0  0  0 
  4 12  1  0  0  0  0 
  6 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
M  END
> <ID>
CHEBI:135145

> <NAME>
neridronic acid

> <STAR>
2

> <SYNONYM>
neridronate

> <FORMULA>
C6H17NO7P2

> <MASS>
277.149

> <MONOISOTOPIC_MASS>
277.04803

> <CHARGE>
0

> <SMILES>
C(CCCCCN)(P(=O)(O)O)(P(=O)(O)O)O

> <INCHI>
InChI=1S/C6H17NO7P2/c7-5-3-1-2-4-6(8,15(9,10)11)16(12,13)14/h8H,1-5,7H2,(H2,9,10,11)(H2,12,13,14)

> <INCHIKEY>
PUUSSSIBPPTKTP-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
79778-41-9

$$$$